Sugi Predict

Sugi Predict / Compounds / SCHEMBL15328740

SCHEMBL15328740

SCHEMBL15328740

CC1(C)COc2c(C=C[N+](=O)[O-])cccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.44
▸ PRMT1 Q99873 1/20 0.43
▸ FBP1 P09467 10/20 0.39
▸ TLR4 O00206 1/20 0.38
▸ TLR2 O60603 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ MAPT P10636 4/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ HSP90AA1 P07900 2/20 0.38
▸ MITF O75030 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ VCP P55072 2/20 0.38
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MTOR P42345 1/20 0.35
▸ HPGD P15428 3/20 0.35
▸ NTSR1 P30989 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MEN1 O00255 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15328737 1.00 RXRA (0.44) RXRAPRMT1FBP1TLR4TLR2
SCHEMBL1009956 0.70 KDM4E (0.56) RXRAPRMT1FBP1TLR4TLR2
SCHEMBL1010263 0.70 VCP (0.53) RXRAPRMT1FBP1TLR4TLR2
SCHEMBL1009957 0.70 KDM4E (0.56) RXRAPRMT1FBP1TLR4TLR2
SCHEMBL1010264 0.70 VCP (0.53) RXRAPRMT1FBP1TLR4TLR2
SCHEMBL34462932 0.69 RXRA (0.47) RXRAPRMT1FBP1TLR4TLR2
SCHEMBL22650791 0.66 PTGS1 (0.36) —
SCHEMBL28594822 0.65 RXRA (0.54) RXRAPRMT1FBP1TLR4TLR2
SCHEMBL20524919 0.65 PTGS1 (0.52) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL798354 0.64 RXRA (0.58) RXRAPRMT1FBP1TLR4TLR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021465-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-06-01 — — US disclosed
US-11008305-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-05-18 — — US disclosed
EP-3459942-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2020-12-30 — — EP disclosed
CN-106977495-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2020-08-04 — — CN disclosed
US-20200109130-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-04-09 — — US disclosed
US-20200062732-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-02-27 — — US disclosed
CN-106986863-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2019-12-31 — — CN disclosed
US-10442791-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-10-15 — — US disclosed
US-10391095-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-27 — — US disclosed
EP-3459942-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2019-03-27 — — EP disclosed
US-20160250212-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-09-01 — — US disclosed
EP-3057959-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2016-08-24 — — EP disclosed
US-9376448-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-28 — — US disclosed
US-9296701-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-03-29 — — US disclosed
US-20150111871-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-23 — — US disclosed
WO-2015058031-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-23 — — WO disclosed
EP-2841428-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2015-03-04 — — EP disclosed
US-20140045869-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2014-02-13 — — US disclosed
WO-2013163190-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICAL INCORPORATED (US) 2013-10-31 — — WO disclosed
US-20130281431-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2013-10-24 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140045869-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK RXRA 3687/4885PRMT1 1520/4885FBP1 1001/4885
US-20200109130-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK RXRA 3687/4885PRMT1 1520/4885FBP1 1001/4885
US-20160250212-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK RXRA 3687/4885PRMT1 1520/4885FBP1 1001/4885
US-11008305-B2 DNA-PK inhibitors POLK, DTYMK, DCK RXRA 3687/4885PRMT1 1520/4885FBP1 1001/4885
US-20150111871-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK RXRA 3687/4885PRMT1 1520/4885FBP1 1001/4885
US-10442791-B2 DNA-PK inhibitors POLK, DTYMK, DCK RXRA 3687/4885PRMT1 1520/4885FBP1 1001/4885
US-20200062732-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK RXRA 3687/4885PRMT1 1520/4885FBP1 1001/4885
US-20130281431-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK RXRA 3687/4885PRMT1 1520/4885FBP1 1001/4885
US-10391095-B2 DNA-PK inhibitors POLK, DTYMK, DCK RXRA 3687/4885PRMT1 1520/4885FBP1 1001/4885
US-11021465-B2 DNA-PK inhibitors POLK, DTYMK, DCK RXRA 3687/4885PRMT1 1520/4885FBP1 1001/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.